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3-(4-Oxo-4-phenyl-2(E)-butenyl)cyclohexanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-(4-Oxo-4-phenyl-2(E)-butenyl)cyclohexanone
SpectraBase Compound ID C3wajWufLj2
InChI InChI=1S/C16H18O2/c17-15-10-4-6-13(12-15)7-5-11-16(18)14-8-2-1-3-9-14/h1-3,5,8-9,11,13H,4,6-7,10,12H2/b11-5+
InChIKey BXPCKELECVVQFU-VZUCSPMQSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GHCwbu3BWXF
Name 3-(4-oxo-4-Phenyl-2(E)-butenyl)cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.130679818 u
Formula C16H18O2
InChI InChI=1S/C16H18O2/c17-15-10-4-6-13(12-15)7-5-11-16(18)14-8-2-1-3-9-14/h1-3,5,8-9,11,13H,4,6-7,10,12H2/b11-5+
InChIKey BXPCKELECVVQFU-VZUCSPMQSA-N
Molecular Weight 242.318 g/mol
SMILES C(\C=C\CC1CC(=O)CCC1)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.987723